General Information of the Compound
| Compound ID |
CP0506660
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| Compound Name |
6,7-dialkoxyquinoline-3-carbonitrile deriv. 58
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| Structure |
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| Formula |
C17H10BrN3O2
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| Molecular Weight |
368.19
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| Canonical SMILES |
Brc1cccc(Nc2c(cnc3cc4OCOc4cc23)C#N)c1
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| InChI |
InChI=1S/C17H10BrN3O2/c18-11-2-1-3-12(4-11)21-17-10(7-19)8-20-14-6-16-15(5-13(14)17)22-9-23-16/h1-6,8H,9H2,(H,20,21)
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| InChIKey |
AVKRWJGYHFZIQI-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound